SCHEMBL9711065

SCHEMBL9711065

N#Cc1[nH]c(=O)n(-c2ccc(Cl)cc2F)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
PGR P06401 1/20 0.35
BCAT2 O15382 4/20 0.35
BCAT1 P54687 4/20 0.35
AOC3 Q16853 2/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IDH1 O75874 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9710644 0.78 SMN1; SMN2 (0.46) KDM4EMEN1LMNAKMT2AL3MBTL1
SCHEMBL8889161 0.73 MCL1 (0.39) KDM4EHTTBCAT2BCAT1AOC3
SCHEMBL9711057 0.73 AOC3 (0.34) AOC3S1PR4S1PR1S1PR5SLC22A12
SCHEMBL9710867 0.72 MAPK8 (0.44) KDM4EMEN1LMNAKMT2A
SCHEMBL10574822 0.71 SMN1; SMN2 (0.61) KDM4EHTTBCAT2BCAT1AOC3
SCHEMBL8888395 0.70 L3MBTL1 (0.46) KDM4EBCAT2BCAT1MEN1KMT2A
SCHEMBL29574224 0.69 BCAT1 (0.54) BCAT2BCAT1SMN1; SMN2
SCHEMBL8691597 0.69 BCAT1 (0.54) BCAT2BCAT1SMN1; SMN2
SCHEMBL9710947 0.69 KDM4E (0.36) KDM4EMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL9710883 0.69 LMNA (0.35) KDM4ELMNAS1PR4S1PR1S1PR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992021662-A1 POSSIBLY CONDENSED PHENYLIMIDAZOLONES AND PYRIMIDINONES AS HERBICIDES; INTERMEDIATES DOWELANCO (US) 1992-12-10 WO disclosed
US-5153316-A Post and preemergence herbicides DOWELANCO 1992-10-06 US disclosed